CID 101639554

Chebi:145781

Structural Information

Molecular Formula
C13H27NO9P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC(=O)CCCC(=O)O
InChI
InChI=1S/C13H26NO9P/c1-14(2,3)7-8-21-24(19,20)22-10-11(9-15)23-13(18)6-4-5-12(16)17/h11,15H,4-10H2,1-3H3,(H-,16,17,19,20)/p+1/t11-/m1/s1
InChIKey
MIHNUFMBTFWYCS-LLVKDONJSA-O
Compound name
2-[[(2R)-2-(4-carboxybutanoyloxy)-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.14233 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14961 185.8
[M+Na]+ 395.13155 190.0
[M-H]- 371.13505 189.3
[M+NH4]+ 390.17615 190.8
[M+K]+ 411.10549 181.2
[M+H-H2O]+ 355.13959 172.2
[M+HCOO]- 417.14053 198.6
[M+CH3COO]- 431.15618 205.5
[M+Na-2H]- 393.11700 175.3
[M]+ 372.14178 182.4
[M]- 372.14288 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.